C18H17N3O2.1/2H2O
TL;DR: C18H17N3O2.1/2H2O (CAS 137987-37-2) is a chemical compound with molecular formula C18H17N3O2 and molecular weight 307.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one
Also Known As: C18H17N3O2.1/2H2O, 10-(4-Methoxyphenyl)-3,4,9,10-tetrahydropyrrolo(3,4-b)(1,5)benzodiazepin-1(2H)-one, C18-H17-N3-O2.1/2H2-O, AB00086460-01, AH-262/34398028
| Molecular Formula | C18H17N3O2 |
|---|---|
| Molecular Weight | 307.13 g/mol |
| LogP | 2.6578 |
| Topological Polar Surface Area | 62.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.13208 |
| Heavy Atoms | 23 |
| Complexity | 796.16895 |
Chemical Identifiers
| CAS Number | 137987-37-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3=C(CNC3=O)NC4=CC=CC=C4N2 |
Product Overview
C18H17N3O2.1/2H2O (CAS 137987-37-2), with molecular formula C18H17N3O2 and molecular weight 307.13 g/mol. IUPAC: 4-(4-methoxyphenyl)-2,4,5,10-tetrahydro-1H-pyrrolo[3,4-c][1,5]benzodiazepin-3-one.
Chemical Property Profile of C18H17N3O2.1/2H2O
Property Insights of C18H17N3O2.1/2H2O
The XLogP value of 2.6578 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H17N3O2.1/2H2O. The TPSA of 62.39 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H17N3O2.1/2H2O. Following Lipinski's Rule of Five, C18H17N3O2.1/2H2O has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C18H17N3O2.1/2H2O?
The CAS number of C18H17N3O2.1/2H2O is 137987-37-2.
What is the molecular formula of C18H17N3O2.1/2H2O?
The molecular formula of C18H17N3O2.1/2H2O is C18H17N3O2.
What is the molecular weight of C18H17N3O2.1/2H2O?
The molecular weight of C18H17N3O2.1/2H2O is 307.13 g/mol.
Where can I buy C18H17N3O2.1/2H2O?
You can request a quote for C18H17N3O2.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H17N3O2.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C18H17N3O2.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.